2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine

C12H10F3N3O — CID 29067513

IUPAC2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
SMILESNc1cccnc1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)19-9-4-1-3-8(7-9)18-11-10(16)5-2-6-17-11/h1-7H,16H2,(H,17,18)
InChIKeyXIGOCBPTGFNSRT-UHFFFAOYSA-N
MW269.23 g/mol
LogP3.31
Rot. Bonds3

About 2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine

2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine (PubChem CID 29067513) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
PubChem CID29067513
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
SMILESNc1cccnc1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)19-9-4-1-3-8(7-9)18-11-10(16)5-2-6-17-11/h1-7H,16H2,(H,17,18)
InChIKeyXIGOCBPTGFNSRT-UHFFFAOYSA-N
XLogP3.31
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 63462667
4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 79915945
2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 43436320
6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 63736450
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
5-bromo-2-N-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728679
2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728582
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
4-chloro-6-[3-(trifluoromethoxy)anilino]pyrimidine-5-carbaldehyde
CID 66366312
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581
2-(3-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632895
6-bromo-2-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 116796336

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine (CID 29067513) is 2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine is Nc1cccnc1Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine?
The InChIKey is XIGOCBPTGFNSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)19-9-4-1-3-8(7-9)18-11-10(16)5-2-6-17-11/h1-7H,16H2,(H,17,18).
What are the key properties of 2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine?
2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine has a molecular weight of 269.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 29067513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).